SCHEMBL925681

SCHEMBL925681

CC(C)[Si](OCCOc1cc(CO)ccc1Br)(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL924818 0.86 SLC6A4 (0.39) SLC6A4HTR1A
SCHEMBL3085575 0.84 TSHR (0.36) NPC1POLBRAB9AHTTCYP4F2
SCHEMBL925035 0.81 SLC6A4 (0.46) SLC6A4NPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL30808273 0.79 SLC6A4 (0.57) SLC6A4HSD17B10HTTALOX15TSHR
SCHEMBL2408296 0.79 SLC6A4 (0.57) SLC6A4HSD17B10HTTALOX15TSHR
SCHEMBL925191 0.79 SLC6A4 (0.39) SLC6A4SMN1; SMN2L3MBTL1CYP2D6HTR1A
SCHEMBL925189 0.79 SLC6A4 (0.39) SLC6A4SMN1; SMN2L3MBTL1CYP2D6HTR1A
SCHEMBL8773585 0.77 SLC6A4 (0.46) SLC6A4NPC1POLBRAB9AHSD17B10
SCHEMBL925432 0.77 SLC6A4 (0.33) SLC6A4
SCHEMBL925434 0.77 SLC6A4 (0.33) SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009399-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-01-13 US disclosed
EP-2231677-A2 TRISUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2010-09-29 EP disclosed
WO-2009074674-A2 TRISUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-06-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009399-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 SLC6A4 1980/4885NPC1 1286/4885POLB 434/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.